2-(3-bromophenyl)-4-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: 2-(3-bromophenyl)-4-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: 2-(3-bromophenyl)-4-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: 2-(3-bromophenyl)-4-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: 2-(3-bromophenyl)-4-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: 2-(3-bromophenyl)-4-(4-methoxyphenyl)-2,5-dihydro-1,5-benzothiazepine Formula: C22H18BrNOS MolecularWeight: 424.35342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(SC3=CC=CC=C3N2)C4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(SC3=CC=CC=C3N2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H18BrNOS/c1-25-18-11-9-15(10-12-18)20-14-22(16-5-4-6-17(23)13-16)26-21-8-3-2-7-19(21)24-20/h2-14,22,24H,1H3